3-[2-(4-butylphenyl)piperidin-1-yl]propyl benzoate

Systemtic Name: 3-[2-(4-butylphenyl)piperidin-1-yl]propyl benzoate Openeye Name: 3-[2-(4-butylphenyl)-1-piperidyl]propyl benzoate CAS Name: benzoic acid 3-[2-(4-butylphenyl)-1-piperidinyl]propyl ester IUPAC Name: 3-[2-(4-butylphenyl)piperidin-1-yl]propyl benzoate Traditional Name: benzoic acid 3-[2-(4-butylphenyl)piperidino]propyl ester Formula: C25H33NO2 MolecularWeight: 379.53502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCCCN2CCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCCCN2CCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H33NO2/c1-2-3-10-21-14-16-22(17-15-21)24-13-7-8-18-26(24)19-9-20-28-25(27)23-11-5-4-6-12-23/h4-6,11-12,14-17,24H,2-3,7-10,13,18-20H2,1H3